Electron Correlation in Orbital Dependent Functionals
نویسندگان
چکیده
منابع مشابه
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation.
We present a new paradigm for the design of exchange-correlation functionals in density-functional theory. Electron pairs are correlated explicitly by means of the recently developed second order Bethe-Goldstone equation (BGE2) approach. Here we propose a screened BGE2 (sBGE2) variant that efficiently regulates the coupling of a given electron pair. sBGE2 correctly dissociates H_{2} and H_{2}^{...
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